40E
Summary
| Name: | oxo(propan-2-ylamino)acetic acid |
| Formula: | C5 H9 N O3 |
| Formal charge: | 0 |
| Formula weight: | 131.13 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | oxo(propan-2-ylamino)acetic acid |
| OpenEye OEToolkits | 1.9.2 | 2-oxidanylidene-2-(propan-2-ylamino)ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NC(C)C)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C5H9NO3/c1-3(2)6-4(7)5(8)9/h3H,1-2H3,(H,6,7)(H,8,9) |
| InChIKey | InChI | 1.03 | KBMFHCMLHQGQEB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)NC(=O)C(O)=O |
| SMILES | CACTVS | 3.385 | CC(C)NC(=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CC(C)NC(=O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | CC(C)NC(=O)C(=O)O |
